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Literature summary extracted from

  • Cui, H.; Ruda, G.F.; Carrero-Lerida, J.; Ruiz-Perez, L.M.; Gilbert, I.H.; Gonzalez-Pacanowska, D.
    Exploring new inhibitors of Plasmodium falciparum purine nucleoside phosphorylase (2010), Eur. J. Med. Chem., 45, 5140-5149.
    View publication on PubMed

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
2.4.2.1 modeling of the inhibitors 1-((2-pyrrolidine-1-yl)ethyl)uracil and 3-((2-pyrrolidine-1-yl)ethyl)uracil into the active site of the protein, PDB entry 1NW4, by superposition of the uracil ring and the purine ring of Immucillin-H. Both compounds can fit adequately in the active site. In both cases the uracil base is predicted to be oriented in the nucleoside binding pocket by a pi-stacking similar to the purine base of Immucillin-H. The N1 of the uracil base in 1-((2-pyrrolidine-1-yl)ethyl)uracil and the N3 of the uracil base in 3-((2-pyrrolidine-1-yl)ethyl)uracil roughly superimpose with the C4 of Immucillin-H Plasmodium falciparum
2.4.2.3 modeling of the inhibitors 1-((2-pyrrolidine-1-yl)ethyl)uracil and 3-((2-pyrrolidine-1-yl)ethyl)uracil into the active site of the protein, PDB entry 1NW4, by superposition of the uracil ring and the purine ring of Immucillin-H. Both compounds can fit adequately in the active site. In both cases the uracil base is predicted to be oriented in the nucleoside binding pocket by a pi-stacking similar to the purine base of Immucillin-H. The N1 of the uracil base in 1-((2-pyrrolidine-1-yl)ethyl)uracil and the N3 of the uracil base in 3-((2-pyrrolidine-1-yl)ethyl)uracil roughly superimpose with the C4 of Immucillin-H Plasmodium falciparum

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.4.2.1 1-((2-pyrrolidine-1-yl)ethyl)uracil inhibits both enzymic activity and growth of Plasmodium falciparum Plasmodium falciparum
2.4.2.1 3-((2-pyrrolidine-1-yl)ethyl)uracil inhibits both enzymic activity and growth of Plasmodium falciparum Plasmodium falciparum
2.4.2.3 1-((2-pyrrolidine-1-yl)ethyl)uracil inhibits both enzymic activity and growth of Plasmodium falciparum Plasmodium falciparum
2.4.2.3 3-((2-pyrrolidine-1-yl)ethyl)uracil inhibits both enzymic activity and growth of Plasmodium falciparum Plasmodium falciparum

KM Value [mM]

EC Number KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
2.4.2.1 0.005
-
Inosine pH 7.5, 25°C Plasmodium falciparum
2.4.2.1 0.085
-
uridine pH 7.5, 25°C Plasmodium falciparum
2.4.2.3 0.005
-
Inosine pH 7.5, 25°C Plasmodium falciparum
2.4.2.3 0.085
-
uridine pH 7.5, 25°C Plasmodium falciparum

Organism

EC Number Organism UniProt Comment Textmining
2.4.2.1 Plasmodium falciparum Q8I3X4
-
-
2.4.2.3 Plasmodium falciparum Q8I3X4
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.4.2.1 inosine + phosphate
-
Plasmodium falciparum hypoxanthine + alpha-D-ribose 1-phosphate
-
?
2.4.2.1 uridine + phosphate
-
Plasmodium falciparum uracil + alpha-D-ribose 1-phosphate
-
?
2.4.2.3 inosine + phosphate
-
Plasmodium falciparum hypoxanthine + alpha-D-ribose 1-phosphate
-
?
2.4.2.3 uridine + phosphate
-
Plasmodium falciparum uracil + alpha-D-ribose 1-phosphate
-
?

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
2.4.2.1 0.006
-
3-((2-pyrrolidine-1-yl)ethyl)uracil pH 7.5, 25°C Plasmodium falciparum
2.4.2.1 0.027
-
1-((2-pyrrolidine-1-yl)ethyl)uracil pH 7.5, 25°C Plasmodium falciparum
2.4.2.3 0.006
-
3-((2-pyrrolidine-1-yl)ethyl)uracil pH 7.5, 25°C Plasmodium falciparum
2.4.2.3 0.027
-
1-((2-pyrrolidine-1-yl)ethyl)uracil pH 7.5, 25°C Plasmodium falciparum

kcat/KM [mM/s]

EC Number kcat/KM Value [1/mMs-1] kcat/KM Value Maximum [1/mMs-1] Substrate Comment Organism Structure
2.4.2.1 0.306
-
uridine pH 7.5, 25°C Plasmodium falciparum
2.4.2.1 74
-
Inosine pH 7.5, 25°C Plasmodium falciparum
2.4.2.3 0.306
-
uridine pH 7.5, 25°C Plasmodium falciparum
2.4.2.3 74
-
Inosine pH 7.5, 25°C Plasmodium falciparum